N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine

C61H41NS — CID 122675267

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)ccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C61H41NS/c1-5-17-42(18-6-1)44-29-31-45(32-30-44)54-39-46(43-19-7-2-8-20-43)33-37-58(54)62(49-35-38-60-55(40-49)53-26-14-16-28-59(53)63-60)50-34-36-52-51-25-13-15-27-56(51)61(57(52)41-50,47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-41H
InChIKeyWNXGYNGHXWYLHM-UHFFFAOYSA-N
MW820.07 g/mol
LogP16.89
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine (PubChem CID 122675267) has the molecular formula C61H41NS and a molecular weight of 820.07 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
PubChem CID122675267
Molecular FormulaC61H41NS
Molecular Weight820.07 g/mol
Exact Mass819.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)ccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C61H41NS/c1-5-17-42(18-6-1)44-29-31-45(32-30-44)54-39-46(43-19-7-2-8-20-43)33-37-58(54)62(49-35-38-60-55(40-49)53-26-14-16-28-59(53)63-60)50-34-36-52-51-25-13-15-27-56(51)61(57(52)41-50,47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-41H
InChIKeyWNXGYNGHXWYLHM-UHFFFAOYSA-N
XLogP16.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.07
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-2-amine
CID 122675269
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-9,9'-spirobi[fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-3,9,9-triphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 158679524
N-(4-dibenzothiophen-4-ylphenyl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675309
N-(9,9-diphenylfluoren-2-yl)-N-(2,4-diphenylphenyl)dibenzothiophen-4-amine
CID 122675244
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675379
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-2-amine
CID 121423623
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155122803
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
N-[4-[4-(N-dibenzothiophen-2-yl-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine;N-[4-[4-(N-(9,9-diphenylfluoren-2-yl)-2-methylanilino)-2-methylphenyl]-3-methylphenyl]-N-(2-methylphenyl)-9,9-diphenylfluoren-2-amine;3-methyl-4-[2-methyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 160562692

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine (CID 122675267) is N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)ccc3N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is WNXGYNGHXWYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NS/c1-5-17-42(18-6-1)44-29-31-45(32-30-44)54-39-46(43-19-7-2-8-20-43)33-37-58(54)62(49-35-38-60-55(40-49)53-26-14-16-28-59(53)63-60)50-34-36-52-51-25-13-15-27-56(51)61(57(52)41-50,47-21-9-3-10-22-47)48-23-11-4-12-24-48/h1-41H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 820.07 g/mol, XLogP of 16.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-phenyl-2-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 122675267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).